4-[[(2,5-dimethoxyphenyl)-(8-oxidanylquinolin-7-yl)methyl]amino]benzoic acid

Systemtic Name: 4-[[(2,5-dimethoxyphenyl)-(8-oxidanylquinolin-7-yl)methyl]amino]benzoic acid Openeye Name: 4-[[(2,5-dimethoxyphenyl)-(8-hydroxy-7-quinolyl)methyl]amino]benzoic acid CAS Name: 4-[[(2,5-dimethoxyphenyl)-(8-hydroxy-7-quinolinyl)methyl]amino]benzoic acid IUPAC Name: 4-[[(2,5-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]amino]benzoic acid Traditional Name: 4-[[(2,5-dimethoxyphenyl)-(8-hydroxy-7-quinolyl)methyl]amino]benzoic acid Formula: C25H22N2O5 MolecularWeight: 430.45258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H22N2O5/c1-31-18-10-12-21(32-2)20(14-18)23(27-17-8-5-16(6-9-17)25(29)30)19-11-7-15-4-3-13-26-22(15)24(19)28/h3-14,23,27-28H,1-2H3,(H,29,30)